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Acetoxyacetic acid, 2,3-dichlorophenyl ester

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Acetoxyacetic acid, 2,3-dichlorophenyl ester
SpectraBase Compound ID 4d8RpNFdUMw
InChI InChI=1S/C10H8Cl2O4/c1-6(13)15-5-9(14)16-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3
InChIKey LPDVUUWSIMJXRH-UHFFFAOYSA-N
Mol Weight 263.08 g/mol
Molecular Formula C10H8Cl2O4
Exact Mass 261.979964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6YyJ8RYAY2O
Name Acetoxyacetic acid, 2,3-dichlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.979964134 u
Formula C10H8Cl2O4
InChI InChI=1S/C10H8Cl2O4/c1-6(13)15-5-9(14)16-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3
InChIKey LPDVUUWSIMJXRH-UHFFFAOYSA-N
Molecular Weight 263.076 g/mol
SMILES C(COC(C)=O)(OC1=CC=CC(=C1Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97298